Glycoside
GD061791
Name:
NoneFormula:
C14H18O5N3ClSmiles:
C=CCc1c(Cl)ncnc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
C=CCc1c(N)ncnc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 331.76 | Num_heavy_atoms: | 22 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD30220
Formula: C8H8N3Cl
Smiles:
C=CCc1c(N)ncnc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 169.62 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
